iterations/neb0_image05_iter79.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.470134580138 0.223950206592 0.487173939885} O1 1 1
14 {} {0.332171364203 0.224674977444 0.575276464832} Si1 2 1
14 {} {0.589296001133 0.330595179749 0.44377695246} Si2 3 1
8 {} {0.528419701312 0.47932908253 0.419070258442} O2 4 1
8 {} {0.327705755456 0.357476460278 0.674927716815} O3 5 1
14 {} {0.288819529588 0.515686992595 0.68319148176} Si3 6 1
14 {} {0.503562147855 0.646268685472 0.428113231669} Si4 7 1
1 {} {0.326822677542 0.104151285668 0.662283740065} H1 8 1
1 {} {0.21532574543 0.232625697745 0.483340712391} H2 9 1
1 {} {0.652108649936 0.278355301632 0.319237807848} H3 10 1
1 {} {0.686040386998 0.336501027287 0.55624699669} H4 11 1
1 {} {0.1417112719 0.540776669068 0.675324476378} H5 12 1
1 {} {0.353663911135 0.573243551362 0.805009203153} H6 13 1
1 {} {0.395544679221 0.768815078468 0.43422643051} H7 14 1
1 {} {0.53372635271 0.675481300672 0.285964895449} H8 15 1
1 {} {0.598252136588 0.695813023754 0.530755935312} H10 16 1
8 {} {0.346451671306 0.596499528518 0.546595954603} O 17 1
1 {} {0.320329540019 0.692273893339 0.520541787219} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end